Methyl 3-(acetoxy)-2-butenoate
TL;DR: Methyl 3-(acetoxy)-2-butenoate (CAS 38176-90-8) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-acetyloxybut-2-enoate
Also Known As: Methyl 3-(acetoxy)isocrotonate, methyl 3-acetoxybut-2-enoate, Methyl 3-(acetoxy)-2-butenoate, E,Z-methyl 3-acetoxybutenoate, EINECS 222-928-7
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.6263 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 192.61725 |
Chemical Identifiers
| CAS Number | 38176-90-8 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/OC(=O)C |
Product Overview
Methyl 3-(acetoxy)-2-butenoate (CAS 38176-90-8), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl (E)-3-acetyloxybut-2-enoate.
Chemical Property Profile of Methyl 3-(acetoxy)-2-butenoate
Property Insights of Methyl 3-(acetoxy)-2-butenoate
The XLogP value of 0.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(acetoxy)-2-butenoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-(acetoxy)-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(acetoxy)-2-butenoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(acetoxy)-2-butenoate?
The CAS number of Methyl 3-(acetoxy)-2-butenoate is 38176-90-8.
What is the molecular formula of Methyl 3-(acetoxy)-2-butenoate?
The molecular formula of Methyl 3-(acetoxy)-2-butenoate is C7H10O4.
What is the molecular weight of Methyl 3-(acetoxy)-2-butenoate?
The molecular weight of Methyl 3-(acetoxy)-2-butenoate is 158.06 g/mol.
Where can I buy Methyl 3-(acetoxy)-2-butenoate?
You can request a quote for Methyl 3-(acetoxy)-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(acetoxy)-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetoxy)-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.